⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20123988 | 0.80 | — | — | |
| SCHEMBL1168325 | 0.67 | — | — | |
| SCHEMBL1141344 | 0.65 | — | — | |
| SCHEMBL13628807 | 0.63 | — | — | |
| SCHEMBL9008872 | 0.63 | — | — | |
| SCHEMBL12179431 | 0.62 | — | — | |
| SCHEMBL790574 | 0.59 | — | — | |
| SCHEMBL18943024 | 0.59 | — | — | |
| SCHEMBL9874374 | 0.57 | — | — | |
| SCHEMBL17546258 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117327049-A | Thiopyran nitrile near-infrared fluorescent dye and preparation method thereof | 东南大学 | 2024-01-02 | — | — | CN | claimed |
| CN-117327049-A | Thiopyran nitrile near-infrared fluorescent dye and preparation method thereof | 东南大学 | 2024-01-02 | — | — | CN | disclosed |
| EP-3176162-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS | Cayman Chemical Company, Incorporated (US) | 2017-06-07 | — | — | EP | disclosed |
| US-20170003531-A1 | LIGHT MODULATION ELEMENT | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |
| US-9150588-B2 | Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-06 | — | — | US | disclosed |
| US-9150588-B2 | Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-06 | — | — | US | disclosed |
| US-20130137675-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-30 | — | — | US | disclosed |
| US-20130137675-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-30 | — | — | US | disclosed |
| EP-1389626-B1 | Aromatic copolymers of pyrroles and an electroluminescent element using the same | KOREA INST SCI & TECH (KR) | 2008-12-31 | — | — | EP | disclosed |